TDR Targets

Basic information

Technical information

TDR Targets ID: 183769
Name: 2-(5-benzyl-2-methoxyphenyl)ethanamine
MW: 241.328 | Formula: C16H19NO
H donors: 1 H acceptors: 0 LogP: 3.13 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NCCc1cc(ccc1OC)Cc1ccccc1
InChi: 1S/C16H19NO/c1-18-16-8-7-14(12-15(16)9-10-17)11-13-5-3-2-4-6-13/h2-8,12H,9-11,17H2,1H3
InChiKey: PQCQUVSQYBNAQF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-(5-benzyl-2-methoxy-phenyl)ethanamine
2-[2-methoxy-5-(phenylmethyl)phenyl]ethanamine
2-(5-benzyl-2-methoxy-phenyl)ethylamine
2-[5-(benzyl)-2-methoxy-phenyl]ethylamine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Serotonin 2c (5-HT2c) receptor	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin 2a (5-HT2a) receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Serotonin receptor	Get druggable targets OG5_135430	All targets in OG5_135430

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus	Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog	Serotonin 2a (5-HT2a) receptor	471 aa	435 aa	23.0 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Serotonin 2a (5-HT2a) receptor	471 aa	422 aa	27.5 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Serotonin 2a (5-HT2a) receptor	471 aa	405 aa	25.4 %
Loa Loa (eye worm)	hypothetical protein	Serotonin 2c (5-HT2c) receptor	460 aa	417 aa	21.3 %
Echinococcus multilocularis	neuropeptides capa receptor	Serotonin 2c (5-HT2c) receptor	460 aa	408 aa	20.8 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Serotonin 2c (5-HT2c) receptor	460 aa	405 aa	31.1 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 2a (5-HT2a) receptor	471 aa	408 aa	21.8 %
Echinococcus granulosus	g protein coupled receptor	Serotonin 2a (5-HT2a) receptor	471 aa	416 aa	19.2 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 2a (5-HT2a) receptor	471 aa	417 aa	20.6 %
Echinococcus multilocularis	g protein coupled receptor	Serotonin 2a (5-HT2a) receptor	471 aa	462 aa	21.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0298	0.3053	0.3588
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0195	0.1562	0.1562
Schistosoma mansoni	protein tyrosine phosphatase	0.0195	0.1562	0.1678
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0195	0.1562	0.1562
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.2252	0.2646
Echinococcus multilocularis	titin	0.0195	0.1562	0.1562
Loa Loa (eye worm)	CAMK/CAMKL/NUAK protein kinase	0.0571	0.6987	0.8211
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0362	0.3971	1
Plasmodium falciparum	protein kinase, putative	0.0088	0.0021	1
Schistosoma mansoni	cell adhesion molecule	0.0243	0.2252	0.2418
Echinococcus granulosus	STE20 serine:threonine protein kinase	0.0539	0.6521	0.6521
Schistosoma mansoni	titin	0.0243	0.2252	0.2418
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1562	0.1836
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0298	0.3053	0.3053
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0298	0.3053	0.3053
Onchocerca volvulus		0.0195	0.1562	0.6874
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0088	0.0021	0.0052
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0103	0.0234	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0584	0.7181	0.8439
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0195	0.1562	0.1678
Echinococcus multilocularis	tyrosine protein kinase otk	0.0103	0.0234	0.0234
Echinococcus granulosus	Netrin receptor DCC	0.0195	0.1562	0.1562
Loa Loa (eye worm)	hypothetical protein	0.0676	0.8509	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0234	0.0275
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0243	0.2252	0.2646
Echinococcus granulosus	EG95	0.0195	0.1562	0.1562
Onchocerca volvulus		0.0195	0.1562	0.6874
Schistosoma mansoni	ephrin receptor	0.0282	0.2819	0.3028
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0733	0.9333	0.9333
Echinococcus multilocularis	neuroglian	0.0298	0.3053	0.3053
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0088	0.0021	0.0052
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0087	0	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0298	0.3053	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0298	0.3053	0.3588
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0243	0.2252	0.2646
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0195	0.1562	0.1678
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0298	0.3053	0.3053
Loa Loa (eye worm)	TK/ROR protein kinase	0.0135	0.0689	0.081
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0362	0.3971	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0624	0.7748	0.9106
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0481	0.569	0.6111
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0195	0.1562	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0243	0.2252	0.2646
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1562	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0243	0.2252	0.2646
Brugia malayi	Protein-tyrosine phosphatase	0.0195	0.1562	0.1836
Schistosoma mansoni	cell adhesion molecule	0.0732	0.9311	1
Schistosoma mansoni	factor for adipocyte differentiation	0.0195	0.1562	0.1678
Echinococcus granulosus	Immunoglobulin	0.0481	0.569	0.569
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0087	0.0003	0.0009
Echinococcus multilocularis	roundabout 2	0.0298	0.3053	0.3053
Giardia lamblia	Kinase, NEK	0.0087	0	0.5
Giardia lamblia	Kinase, NEK	0.0087	0	0.5
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0362	0.3971	1
Entamoeba histolytica	hypothetical protein	0.0087	0.0003	0.0009
Echinococcus granulosus	neuroglian	0.0298	0.3053	0.3053
Trypanosoma brucei	protein kinase, putative	0.0088	0.0021	0.0052
Echinococcus multilocularis	peroxidasin	0.0103	0.0237	0.0237
Echinococcus granulosus	G1Y162 protein	0.0195	0.1562	0.1562
Echinococcus multilocularis	lachesin	0.0103	0.0234	0.0234
Echinococcus granulosus	nephrin	0.0243	0.2252	0.2252
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0103	0.0234	0.0234
Loa Loa (eye worm)	projectin	0.0243	0.2252	0.2646
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0195	0.1562	0.1836
Schistosoma mansoni	vesicular amine transporter	0.0481	0.569	0.6111
Leishmania major	protein kinase, putative	0.0088	0.0021	0.0052
Entamoeba histolytica	protein kinase domain containing protein	0.0088	0.0021	0.0052
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0244	0.2272	0.267
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0103	0.0234	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0676	0.8509	1
Loa Loa (eye worm)	hypothetical protein	0.0362	0.3971	0.4666
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.2252	0.2646
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1562	0.1836
Leishmania major	hypothetical protein, conserved	0.0195	0.1562	0.3934
Echinococcus granulosus	tyrosine protein kinase otk	0.0103	0.0234	0.0234
Giardia lamblia	Protein 21.1	0.0087	0	0.5
Loa Loa (eye worm)	TK protein kinase	0.0135	0.0689	0.081
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Onchocerca volvulus		0.0195	0.1562	0.6874
Schistosoma mansoni	septate junction protein	0.0103	0.0234	0.0251
Entamoeba histolytica	protein kinase domain containing protein	0.0091	0.0053	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Echinococcus multilocularis	anosmin 1	0.0195	0.1562	0.1562
Schistosoma mansoni	roundabout	0.0103	0.0234	0.0251
Echinococcus multilocularis	neuroglian	0.0529	0.638	0.638
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0088	0.0021	0.0021
Echinococcus multilocularis	cell adhesion molecule	0.0195	0.1562	0.1562
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.2252	0.2646
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0234	0.0275
Brugia malayi	myotactin form B	0.0195	0.1562	0.1836
Entamoeba histolytica	hypothetical protein	0.0087	0.0003	0.0009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0135	0.0689	0.081
Mycobacterium ulcerans	hypothetical protein	0.0362	0.3971	0.5
Loa Loa (eye worm)	UNCoordinated family member	0.0195	0.1562	0.1836
Onchocerca volvulus		0.0195	0.1562	0.6874
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0195	0.1562	0.1562
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0251	0.2363	0.2777
Echinococcus multilocularis	roundabout 2	0.078	1	1
Echinococcus multilocularis	hemicentin 1	0.0103	0.0234	0.0234
Echinococcus multilocularis	Netrin receptor DCC	0.0195	0.1562	0.1562
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.03	0.3074	0.3612
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0362	0.3971	1
Schistosoma mansoni	cell adhesion molecule	0.0243	0.2252	0.2418
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0537	0.6491	0.6491
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0195	0.1562	0.1562
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0362	0.3971	1
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0135	0.0689	0.0689
Schistosoma mansoni	titin	0.0103	0.0234	0.0251
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0195	0.1562	0.3934
Echinococcus granulosus	Netrin receptor DCC	0.0195	0.1562	0.1562
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0195	0.1562	0.1562
Echinococcus granulosus	anosmin 1	0.0195	0.1562	0.1562
Schistosoma mansoni	serine/threonine protein kinase	0.0244	0.2272	0.2441
Echinococcus multilocularis	titin	0.0244	0.2272	0.2272
Echinococcus multilocularis	STE20 serine:threonine protein kinase	0.0539	0.6521	0.6521
Brugia malayi	hypothetical protein	0.0676	0.8509	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0243	0.2252	0.2252
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0195	0.1562	0.1562
Onchocerca volvulus		0.0243	0.2252	0.9909
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0195	0.1562	0.1562
Brugia malayi	Protein kinase domain containing protein	0.0188	0.1451	0.1706
Echinococcus granulosus	usherin	0.0195	0.1562	0.1562
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0103	0.0234	0.0275
Schistosoma mansoni	tripartite motif protein trim9	0.0195	0.1562	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0537	0.6501	0.7639
Echinococcus granulosus	roundabout 2	0.0298	0.3053	0.3053
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0243	0.2252	0.2646
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0135	0.0689	0.0689
Schistosoma mansoni	septate junction protein	0.0103	0.0234	0.0251
Brugia malayi	Prion-like-	0.0103	0.0234	0.0275
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0282	0.2819	0.2819
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0103	0.0234	0.0275
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0362	0.3971	0.4666
Schistosoma mansoni	cell adhesion molecule	0.0298	0.3053	0.3279
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0103	0.0234	0.0251
Onchocerca volvulus		0.0195	0.1562	0.6874
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Onchocerca volvulus		0.0195	0.1562	0.6874
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0103	0.0234	0.0275
Echinococcus granulosus	Fibronectin type III	0.0195	0.1562	0.1562
Echinococcus granulosus	titin	0.0244	0.2272	0.2272
Echinococcus granulosus	anosmin 1	0.0195	0.1562	0.1562
Brugia malayi	Peroxidasin	0.0103	0.0237	0.0279
Onchocerca volvulus		0.0195	0.1562	0.6874
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0088	0.0021	0.0052
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0103	0.0234	0.0275
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0195	0.1562	0.1562
Schistosoma mansoni	titin	0.0195	0.1562	0.1678
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.2252	0.2646
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Echinococcus granulosus	activin receptor type	0.0088	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Echinococcus granulosus	lachesin	0.0103	0.0234	0.0234
Echinococcus granulosus	peroxidasin	0.0103	0.0237	0.0237
Schistosoma mansoni	hypothetical protein	0.0195	0.1562	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0195	0.1562	0.1562
Echinococcus granulosus	roundabout 2	0.0298	0.3053	0.3053
Entamoeba histolytica	tyrosin kinase, putative	0.0091	0.0053	0.0135
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0195	0.1562	0.1562
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0195	0.1562	0.1562
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1562	0.1836
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0244	0.2272	0.267
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0237	0.0279
Echinococcus granulosus	hemicentin 1	0.0103	0.0234	0.0234
Brugia malayi	protein unc-22	0.0244	0.2272	0.267
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0362	0.3971	1
Loa Loa (eye worm)	CAMK protein kinase	0.0244	0.2272	0.267
Echinococcus multilocularis	Netrin receptor DCC	0.0195	0.1562	0.1562
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0195	0.1562	0.1678
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0103	0.0234	0.0275
Brugia malayi	myotactin form A	0.0195	0.1562	0.1836
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0251	0.2363	0.2363
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.2252	0.2646
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0362	0.3971	1
Echinococcus granulosus	neuroglian	0.0529	0.638	0.638
Echinococcus multilocularis	usherin	0.0195	0.1562	0.1562
Schistosoma mansoni	titin	0.0244	0.2272	0.2441
Trypanosoma cruzi	hypothetical protein, conserved	0.0195	0.1562	0.3934
Plasmodium vivax	protein kinase, putative	0.0087	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0481	0.569	0.6687
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0624	0.7748	0.9106
Schistosoma mansoni	cell adhesion molecule	0.0298	0.3053	0.3279
Giardia lamblia	Kinase	0.0087	0	0.5
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0251	0.2363	0.2363
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0251	0.2363	0.2777
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0481	0.569	0.569
Echinococcus granulosus	cell adhesion molecule	0.0195	0.1562	0.1562
Schistosoma mansoni	factor for adipocyte differentiation	0.0195	0.1562	0.1678
Loa Loa (eye worm)	myotactin form A	0.0195	0.1562	0.1836
Loa Loa (eye worm)	lethal protein 805	0.0195	0.1562	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Echinococcus multilocularis	anosmin 1	0.0195	0.1562	0.1562
Echinococcus multilocularis	transfer RNA-Phe	0.0243	0.2252	0.2252
Onchocerca volvulus		0.0243	0.2252	0.9909
Schistosoma mansoni	neuroglian	0.0298	0.3053	0.3279
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0298	0.3053	0.3053
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0195	0.1562	0.1836
Onchocerca volvulus		0.0195	0.1562	0.6874
Loa Loa (eye worm)	hypothetical protein	0.0584	0.7181	0.8439
Brugia malayi	Lethal protein 805	0.0195	0.1562	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0234	0.0275
Schistosoma mansoni	tyrosine kinase	0.019	0.1491	0.1601
Schistosoma mansoni	hypothetical protein	0.0195	0.1562	0.1678
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1562	0.1836
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0088	0.0021	0.0021
Schistosoma mansoni	protein kinase	0.0088	0.0021	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0676	0.8509	1
Onchocerca volvulus		0.0244	0.2272	1
Echinococcus multilocularis	anosmin 1	0.0195	0.1562	0.1562
Echinococcus granulosus	anosmin 1	0.0195	0.1562	0.1562
Onchocerca volvulus		0.0195	0.1562	0.6874
Schistosoma mansoni	cell adhesion molecule	0.0103	0.0234	0.0251
Echinococcus multilocularis	Immunoglobulin	0.0481	0.569	0.569
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0362	0.3971	1
Echinococcus multilocularis	activin receptor type	0.0088	0.0021	0.0021
Onchocerca volvulus		0.0195	0.1562	0.6874
Echinococcus multilocularis	Fibronectin, type III	0.0195	0.1562	0.1562
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0481	0.569	0.6111
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0195	0.1562	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Onchocerca volvulus		0.0195	0.1562	0.6874
Schistosoma mansoni	factor for adipocyte differentiation	0.0195	0.1562	0.1678
Schistosoma mansoni	hemicentin	0.0243	0.2252	0.2418
Echinococcus granulosus	twitchin	0.053	0.64	0.64
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0243	0.2252	0.2646
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0298	0.3053	0.3588
Schistosoma mansoni	hypothetical protein	0.0243	0.2252	0.2418
Loa Loa (eye worm)	hypothetical protein	0.0537	0.6491	0.7629
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0298	0.3053	0.3279
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0103	0.0234	0.0275
Entamoeba histolytica	protein kinase, putative	0.0087	0.0003	0.0009
Brugia malayi	SPRY domain containing protein	0.0195	0.1562	0.1836
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Echinococcus granulosus	contactin	0.0298	0.3053	0.3053
Echinococcus granulosus	defective proboscis extension response	0.0481	0.569	0.569
Echinococcus multilocularis	hemicentin 1	0.0103	0.0234	0.0234
Schistosoma mansoni	nephrin	0.0724	0.9199	0.988
Brugia malayi	Fibronectin type III domain containing protein	0.0676	0.8509	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0103	0.0234	0.0275
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1562	0.1836
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0676	0.8509	1
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0195	0.1562	0.3934
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0195	0.1562	0.3934
Schistosoma mansoni	protein kinase	0.0188	0.1451	0.1559
Schistosoma mansoni	myosin-binding protein-related	0.0243	0.2252	0.2418
Brugia malayi	hypothetical protein	0.0195	0.1562	0.1836
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1562	0.1836
Schistosoma mansoni	protein kinase	0.0088	0.0021	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0234	0.0275
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0088	0.0021	0.0021
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0298	0.3053	0.3053
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0195	0.1562	0.1562
Onchocerca volvulus	Tyrosine kinase homolog	0.0135	0.0689	0.3034
Schistosoma mansoni	nephrin	0.0298	0.3053	0.3279
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0298	0.3053	0.3588
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0088	0.0021	0.0052
Echinococcus multilocularis	Immunoglobulin	0.0481	0.569	0.569
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1562	0.1836
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0362	0.3971	1
Schistosoma mansoni	protein kinase	0.0088	0.0021	0.0022
Brugia malayi	Fibronectin type III domain containing protein	0.0195	0.1562	0.1836
Brugia malayi	Lethal protein 805	0.0195	0.1562	0.1836
Echinococcus multilocularis	roundabout 2	0.0298	0.3053	0.3053
Entamoeba histolytica	hypothetical protein	0.0087	0.0003	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0481	0.5693	0.6691
Loa Loa (eye worm)	hypothetical protein	0.0481	0.569	0.6687
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0234	0.0275
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0087	0	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0282	0.2819	0.2819
Brugia malayi	Serotonin receptor	0.0561	0.6849	0.8048
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0195	0.1562	0.1836
Loa Loa (eye worm)	STE/STE20/SLK protein kinase	0.0188	0.1451	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0234	0.0275
Echinococcus granulosus	titin	0.0244	0.2272	0.2272

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 176 nM	Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand	ChEMBL.	11563927
Ki (binding)	= 176 nM	Binding affinity against rat 5-hydroxytryptamine 2A receptor using [3H]-Ketanserin as radioligand	ChEMBL.	11563927
Ki (binding)	= 230 nM	Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]-mesulergine as radioligand	ChEMBL.	11563927
Ki (binding)	= 230 nM	Binding affinity against rat 5-hydroxytryptamine 2C receptor using [3H]-mesulergine as radioligand	ChEMBL.	11563927
Ratio (binding)	= 1	Ratio of binding affinity towards rat 5-HT2C and 5-HT2A receptors	ChEMBL.	11563927

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL419563
PubChem: 11128448

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 183769